Crystal structure and Hirshfeld surface analysis of ethyl (3E)-5-(4-chlorophenyl)-3-{[(4-chlorophenyl)formamido]imino}-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.78, ss.846-857, 2022 (ESCI, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 78
- Basım Tarihi: 2022
- Doi Numarası: 10.1107/s205698902200603x
- Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
- Sayfa Sayıları: ss.846-857
- Anahtar Kelimeler: crystal structure, hydrogen bond, thiazole, pyrimidine, Hirshfeld surface analysis
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- Erciyes Üniversitesi Adresli: Evet
Özet
In the title molecule, C23H20Cl2N4O3S, the thiazole ring is planar while the pyrimidine unit fused to it adopts a screw-boat conformation. In the crystal, thick sheets parallel to the bc plane are formed by N-H center dot center dot center dot N, C-H center dot center dot center dot N and C-H center dot center dot center dot O hydrogen bonds together with pi-pi interactions between the formamido carbonyl groups and the thiazole rings. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H center dot center dot center dot H (30.9%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (20.7%), C center dot center dot center dot H/H center dot center dot center dot C (16.8%) and O center dot center dot center dot H/H center dot center dot center dot O (11.4%) interactions.